Geometry & MOs

Info

ID:	297091
PubChem CID:	117608403
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	5.05
IP(EA), eV:	-8.42(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N=CC2=C(C=C(C=C2)OC)OC)C

DOS

IR

Vibrations